2.0
2012-07-30 14:54:57 -0600
2015-06-03 17:20:53 -0600
ECMDB21210
M2MDB001618
Dodecanoly-phosphate (n-C12:0)
Dodecanoyl-phosphate (n-c12:0) belongs to the class of Acyl Phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH. (inferred from compound structure)
Dodecanoly-phosphoric acid (N-C12:0)
C12H23O5P
278.2818
278.128310358
(dodecanoyloxy)phosphonate
dodecanoyloxyphosphonate
CCCCCCCCCCCC(=O)OP([O-])([O-])=O
InChI=1S/C12H25O5P/c1-2-3-4-5-6-7-8-9-10-11-12(13)17-18(14,15)16/h2-11H2,1H3,(H2,14,15,16)/p-2
LSNGYVCUKHMBSY-UHFFFAOYSA-L
Cytosol
Membrane
logp
4.02
logs
-2.78
solubility
5.18e-01 g/l
logp
3.82
pka_strongest_acidic
1.23
pka_strongest_basic
-7.4
iupac
(dodecanoyloxy)phosphonate
average_mass
278.2818
mono_mass
278.128310358
smiles
CCCCCCCCCCCC(=O)OP([O-])([O-])=O
formula
C12H23O5P
inchi
InChI=1S/C12H25O5P/c1-2-3-4-5-6-7-8-9-10-11-12(13)17-18(14,15)16/h2-11H2,1H3,(H2,14,15,16)/p-2
inchikey
LSNGYVCUKHMBSY-UHFFFAOYSA-L
polar_surface_area
89.49
refractivity
67.6
polarizability
29.84
rotatable_bond_count
12
acceptor_count
4
donor_count
0
physiological_charge
-2
formal_charge
-2
Specdb::NmrOneD
292935
Specdb::NmrOneD
292936
Specdb::NmrOneD
292937
Specdb::NmrOneD
292938
Specdb::NmrOneD
292939
Specdb::NmrOneD
292940
Specdb::NmrOneD
292941
Specdb::NmrOneD
292942
Specdb::NmrOneD
292943
Specdb::NmrOneD
292944
Specdb::NmrOneD
292945
Specdb::NmrOneD
292946
Specdb::NmrOneD
292947
Specdb::NmrOneD
292948
Specdb::NmrOneD
292949
Specdb::NmrOneD
292950
Specdb::NmrOneD
292951
Specdb::NmrOneD
292952
Specdb::NmrOneD
292953
Specdb::NmrOneD
292954
Specdb::MsMs
25106
Specdb::MsMs
25107
Specdb::MsMs
25108
Specdb::MsMs
31664
Specdb::MsMs
31665
Specdb::MsMs
31666
Acylphosphatase
P0AB65
ACYP_ECOLI
yccX
http://ecmdb.ca/proteins/P0AB65.xml
Phosphate acyltransferase
P27247
PLSX_ECOLI
plsX
http://ecmdb.ca/proteins/P27247.xml
Probable glycerol-3-phosphate acyltransferase
P60782
PLSY_ECOLI
plsY
http://ecmdb.ca/proteins/P60782.xml
Acyl carrier protein
P0A6A8
ACP_ECOLI
acpP
http://ecmdb.ca/proteins/P0A6A8.xml
Dodecanoyl-ACP (n-C12:0ACP) + Hydrogen ion + Phosphate > acyl carrier protein + Dodecanoly-phosphate (n-C12:0)
Dodecanoly-phosphate (n-C12:0) + Water > Dodecanoate (N-C12:0) +2 Hydrogen ion + Phosphate
Dodecanoly-phosphate (n-C12:0) + Glycerol 3-phosphate > 1-Dodecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate